Two-phonon infrared absorption spectra of germanium and silicon calculated from first principles

URN to cite this document:: urn:nbn:de:bvb:355-epub-19712
DOI to cite this document:: 10.5283/epub.1971

Deinzer, Gernot

; Strauch, Dieter

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Date of publication of this fulltext: 05 Aug 2009 13:35

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Abstract

The two-phonon infrared absorption spectrum of the covalent elemental semiconductors Si and Ge is calculated completely ab initio. Besides the harmonic phonon eigen solutions this involves the phonon-photon coupling constants, the so called second-order dipole moments (also called dipole coefficients). These are given by the third-order derivatives of the total energy with respect to an electric ...